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	hartrees
Energy at 0K	-3054.829144
Energy at 298.15K	-3054.820853
Nuclear repulsion energy	615.818683

Atom	x (Å)	y (Å)	z (Å)
Br1	0.000	0.000	0.304
F2	0.000	0.000	-1.492
F3	0.000	1.828	0.078
F4	-1.828	0.000	0.078
F5	0.000	-1.828	0.078
F6	1.828	0.000	0.078

	Br1	F2	F3	F4	F5	F6
Br1		1.7959	1.8416	1.8416	1.8416	1.8416
F2	1.7959		2.4094	2.4094	2.4094	2.4094
F3	1.8416	2.4094		2.5848	3.6554	2.5848
F4	1.8416	2.4094	2.5848		2.5848	3.6554
F5	1.8416	2.4094	3.6554	2.5848		2.5848
F6	1.8416	2.4094	2.5848	3.6554	2.5848

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	Br1	F3	82.953	F2	Br1	F4	82.953
F2	Br1	F5	82.953	F2	Br1	F6	82.953
F3	Br1	F4	89.138	F3	Br1	F5	165.906
F3	Br1	F6	89.138	F4	Br1	F5	89.138
F4	Br1	F6	165.906	F5	Br1	F6	89.138

All results from a given calculation for BrF₅ (bromine pentafluoride)

using model chemistry: MP4/3-21G

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for BrF5 (bromine pentafluoride)

using model chemistry: MP4/3-21G

States and conformations

All results from a given calculation for BrF₅ (bromine pentafluoride)